2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C15H18ClNO — CID 165486572

IUPAC2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1cccc(C2=CCN(C(=O)CCl)CC2)c1C
InChIInChI=1S/C15H18ClNO/c1-11-4-3-5-14(12(11)2)13-6-8-17(9-7-13)15(18)10-16/h3-6H,7-10H2,1-2H3
InChIKeyYOKFGCHKAZTSCO-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.16
Rot. Bonds2

About 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 165486572) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID165486572
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1cccc(C2=CCN(C(=O)CCl)CC2)c1C
InChIInChI=1S/C15H18ClNO/c1-11-4-3-5-14(12(11)2)13-6-8-17(9-7-13)15(18)10-16/h3-6H,7-10H2,1-2H3
InChIKeyYOKFGCHKAZTSCO-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylphenyl)-N-(4-methoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167884977
2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 138026958
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
CID 9079467
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
4-(2,3-dimethylphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 138019019
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 67306630
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 56800121
8-methyl-3-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 17421067
2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68757324
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 165486572) is 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1cccc(C2=CCN(C(=O)CCl)CC2)c1C.
What is the InChIKey of 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is YOKFGCHKAZTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11-4-3-5-14(12(11)2)13-6-8-17(9-7-13)15(18)10-16/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 263.77 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 165486572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).